2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium (CAS 50671-46-0) — formula C31H31Cl2N3O4S, molecular weight 612.6; category organic chemicals.
| CAS Number | 50671-46-0 |
|---|---|
| Molecular Formula | C31H31Cl2N3O4S |
| Molecular Weight | 612.6 |
| LogP | 7.7 |
| Category | Organic Chemicals |
2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium is a carbon-based organic compound with CAS registry number 50671-46-0 and molecular formula C31H31Cl2N3O4S (molecular weight 612.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50671-46-0
Its molecular formula C31H31Cl2N3O4S comprises 31 C, 31 H, 2 Cl, 3 N, 4 O, 1 S atoms.
Also known as: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium · 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(4-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基-5-苯基苯并恶唑
Category: organic chemicals
The CAS registry number of 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium is 50671-46-0.
Molecular formula C31H31Cl2N3O4S, molecular weight 612.6.
It is also registered under: 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium, 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(4-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基-5-苯基苯并恶唑.
Category: Organic Chemicals.
Independent reference data for 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium (CAS 50671-46-0), compiled from public chemistry databases.
| CAS 号 | 50671-46-0 |
|---|---|
| PubChem CID | 44148358 |
| 分子式 | C31H31Cl2N3O4S |
| IUPAC 名称 | 4-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]butane-1-sulfonate |
| Molecular Weight | 612.6 |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 611.1412330 |
| Monoisotopic Mass | 611.1412330 |
| Topological Polar Surface Area | 89.1 |
| Heavy Atom Count | 41 |
2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(4-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基-5-苯基苯并恶唑 · CAS 50671-46-0 · C31H31Cl2N3O4S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[3-[5,6-二氯-1-乙基-1,3-二氢-3-(4-磺基丁基)-2H-苯并咪唑-2-亚基]丙-1-烯基]-3-乙基-5-苯基苯并恶唑